SCHEMBL7776203

SCHEMBL7776203

CC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C(=O)OCCCCCC(=O)O)c1I

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
ADRA1A P35348 1/20 0.37
HPGD P15428 1/20 0.35
RECQL P46063 1/20 0.35
EPHX2 P34913 2/20 0.34
TSHR P16473 4/20 0.33
ESR1 P03372 2/20 0.33
MAPK1 P28482 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NFKB1 P19838 1/20 0.32
PMP22 Q01453 1/20 0.32
PPARA Q07869 4/20 0.32
PLA2G4B P0C869 1/20 0.32
PPARG P37231 3/20 0.32
PPARD Q03181 3/20 0.32
GPR84 Q9NQS5 2/20 0.32
HDAC11 Q96DB2 2/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9413638 1.00 LMNA (0.44) LMNAALDH1A1SMN1; SMN2ADRA1AHPGD
SCHEMBL9413642 1.00 LMNA (0.44) LMNAALDH1A1SMN1; SMN2ADRA1AHPGD
SCHEMBL9407259 0.99 LMNA (0.45) LMNAALDH1A1SMN1; SMN2ADRA1AHPGD
SCHEMBL11859680 0.86 LMNA (0.46) LMNAALDH1A1SMN1; SMN2HPGDRECQL
SCHEMBL8780022 0.86 LMNA (0.41) LMNAALDH1A1HPGDRECQLEPHX2
SCHEMBL6362210 0.86 LMNA (0.41) LMNAALDH1A1HPGDRECQLEPHX2
SCHEMBL6270981 0.84 LMNA (0.44) LMNAALDH1A1SMN1; SMN2HPGDRECQL
SCHEMBL12845801 0.83 HPGD (0.51) LMNAALDH1A1SMN1; SMN2HPGDRECQL
SCHEMBL9414491 0.80 LMNA (0.43) LMNAALDH1A1SMN1; SMN2HPGDRECQL
SCHEMBL6361849 0.80 LMNA (0.51) LMNAALDH1A1SMN1; SMN2HPGDTSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0603917-A1 Iodinated agents and X-ray imaging compositions containing them NanoSystems L.L.C. (US) 1994-06-29 EP claimed
EP-1126884-A2 RADIODENSE COMPOSITIONS THE GENERAL HOSPITAL CORPORATION (US) 2001-08-29 EP disclosed
WO-2000025829-A2 RADIODENSE COMPOSITIONS THE GENERAL HOSPITAL CORPORATION (US) 2000-05-11 WO disclosed
US-5346688-A Medical x-ray diagnostic imaging STERLING WINTHROP INC. (US) 1994-09-13 US disclosed
EP-0603917-A1 Iodinated agents and X-ray imaging compositions containing them NanoSystems L.L.C. (US) 1994-06-29 EP disclosed